SCHEMBL4404668

SCHEMBL4404668

Cc1ccc(C)c(-c2cccc(-c3cccc(-c4ccccc4)n3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 6/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ASIC3 Q9UHC3 1/20 0.42
PSMB5 P28074 1/20 0.41
RARG P13631 1/20 0.41
POLB P06746 3/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 2/20 0.41
AGTR1 P30556 1/20 0.41
ADORA2A P29274 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4401765 0.89 KMT2A (0.45) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL17997027 0.83 MEN1 (0.40) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL13776843 0.83 MEN1 (0.55) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL29446791 0.83 MAPT (0.50) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL4361503 0.83 MAPT (0.50) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL13776840 0.83 KMT2A (0.50) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL4401772 0.82 KDM4E (0.58) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL23052922 0.82 RAB9A (0.52) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL13776860 0.82 MEN1 (0.58) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL23052959 0.82 KMT2A (0.52) MEN1KMT2ARAB9AKDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168307-B2 Organic compound, charge transport material and organic electroluminescent device PIONEER CORPORATION (JP) 2012-05-01 US disclosed
US-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-01-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC25A21, SLCO2A1, OCIAD2 MEN1 1827/4885KMT2A 1162/4885RAB9A 1941/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.